N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C20H24N2O4S — CID 110425345

IUPACN-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-16-8-7-15(2)19(13-16)21-20(23)17-5-4-6-18(14-17)27(24,25)22-9-11-26-12-10-22/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,23)
InChIKeyAFBUIWJXCQVTKJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.83
Rot. Bonds5

About N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 110425345) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID110425345
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-16-8-7-15(2)19(13-16)21-20(23)17-5-4-6-18(14-17)27(24,25)22-9-11-26-12-10-22/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,23)
InChIKeyAFBUIWJXCQVTKJ-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 110425345) is N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AFBUIWJXCQVTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-16-8-7-15(2)19(13-16)21-20(23)17-5-4-6-18(14-17)27(24,25)22-9-11-26-12-10-22/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 110425345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).